Geometry & MOs

Info

ID:	431626
PubChem CID:	135171722
Reduced:	NC7H15 (2)
Stoich.:	AB7C15 (2)
Weight, g/mol:	709.329607
ΔH_f, kcal/mol:	-41.69
Dipole, Da:	1.57
IP(EA), eV:	-8.45(2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-[2-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethylamino]-2-[[4-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methylamino]benzoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@H](CC(N1C(C)(C)C)C(C)(C)C)CN

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@H](CC(N1C(C)(C)C)C(C)(C)C)CN

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):