Geometry & MOs

Info

ID:	414679
PubChem CID:	135087638
Reduced:	O4N5C33H41 (1)
Stoich.:	A4B5C33D41 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-139.24
Dipole, Da:	9.39
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-propylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5)C(C)C

DOS

IR

Vibrations