Geometry & MOs

Info

ID:	62052
PubChem CID:	26717277
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	457.095997
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	4.2
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[2-[[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCNC(=O)C

DOS

IR

Vibrations