Geometry & MOs

Info

ID:	133941
PubChem CID:	51617497
Reduced:	NO5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	-166.02
Dipole, Da:	4.26
IP(EA), eV:	-9.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)[C@@H](C)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations