Geometry & MOs

Info

ID:	438629
PubChem CID:	135228373
Reduced:	O3N4C17H36 (1)
Stoich.:	A3B4C17D36 (1)
Weight, g/mol:	400.243418
ΔH_f, kcal/mol:	-185.12
Dipole, Da:	0.4
IP(EA), eV:	-9.09(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-[[6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N[C@H](CCCNC(N)O)C(=O)C(C)C)NC(C)C

DOS

IR

Vibrations