Geometry & MOs

Info

ID:	275852
PubChem CID:	103818454
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	2.86
IP(EA), eV:	-8.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(thian-4-ylamino)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC2=CC=C(C=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations