Geometry & MOs

Info

ID:	320180
PubChem CID:	126658562
Reduced:	O5N6C28H42 (1)
Stoich.:	A5B6C28D42 (1)
Weight, g/mol:	475.167811
ΔH_f, kcal/mol:	-196.92
Dipole, Da:	6.39
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[amino-(cyanoamino)methylidene]amino]-2-[(5-benzhydrylthiophene-2-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)NC(CC(C)C)C2=NC(=CO2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations