Geometry & MOs

Info

ID:

426334

PubChem CID:

135143465

Reduced:

OSN5C39H53 (1)

Stoich.:

ABC5D39E53 (1)

Weight, g/mol:

385.21139

ΔHf, kcal/mol:

7.79

Dipole, Da:

5.49

IP(EA), eV:

 -7.79(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC1CCN(CC1)CC2=NC=CN2CC3=C(SC(=C3)C(C4=C(C(=C(C=C4)NCC)N)C)C(C)(C)C(=O)CCC5=CC=CC=C5)C

DOS

IR

Vibrations