Geometry & MOs

Info

ID:	418782
PubChem CID:	135106793
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	3.97
IP(EA), eV:	-8.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-benzoxepine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)NCCNC(=O)C(C)C

DOS

IR

Vibrations