Geometry & MOs

Info

ID:	388786
PubChem CID:	134990201
Reduced:	NS2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-103.22
Dipole, Da:	4.96
IP(EA), eV:	-7.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[benzyl(tert-butyl)amino]acetyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC

DOS

IR

Vibrations