Geometry & MOs

Info

ID:	48683
PubChem CID:	11110489
Reduced:	NOSiC20H38 (1)
Stoich.:	ABCD20E38 (1)
Weight, g/mol:	335.95681
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	3.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756022
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-nitrobenzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)[Si](C#CC1CC(N(C(C1)(C)C)[O])(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations