Geometry & MOs

Info

ID:	38181
PubChem CID:	8027846
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	421.188923
ΔH_f, kcal/mol:	-164.22
Dipole, Da:	1.73
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@H]1CCCO1)NC(=O)[C@@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations