Geometry & MOs

Info

ID:	188818
PubChem CID:	77770871
Reduced:	ClN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	460.185903
ΔH_f, kcal/mol:	-160.61
Dipole, Da:	4.27
IP(EA), eV:	-9.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2-[(4-carbamimidoylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-pyridin-3-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2CCC(NC2=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations