Geometry & MOs

Info

ID:	61979
PubChem CID:	26716470
Reduced:	ClSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	385.127385
ΔH_f, kcal/mol:	-188.0
Dipole, Da:	3.79
IP(EA), eV:	-9.35(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

DOS

IR

Vibrations