Geometry & MOs

Info

ID:	441476
PubChem CID:	135235182
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	551.241166
ΔH_f, kcal/mol:	-9.68
Dipole, Da:	5.54
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[4-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethyl]-2-[[(2R)-2-(chloroamino)propanoyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1(CN2C(S1)C(C2=O)NC(=O)CN(CC3=CC=CC=N3)CC4=CC=CC=N4)C

DOS

IR

Vibrations