Geometry & MOs

Info

ID:	224962
PubChem CID:	85735154
Reduced:	ClNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	400.304956
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	3.14
IP(EA), eV:	-8.81(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-N-[1-[(1-amino-1-oxohexan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]undecanamide

Drug info:

PubChemData

Smile

CC(C)(C)OOC1=C(C=CC(=C1)NC(=S)C2=CC=CO2)Cl

DOS

IR

Vibrations