Geometry & MOs

Info

ID:	245347
PubChem CID:	99443749
Reduced:	ClNO3H22C25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	6.81
IP(EA), eV:	-9.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)C(=O)O[C@H](C3)C4=CC=CC=C4

DOS

IR

Vibrations