Geometry & MOs

Info

ID:	20994
PubChem CID:	586669
Reduced:	BrSN2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	394.10783
ΔH_f, kcal/mol:	14.95
Dipole, Da:	5.03
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromophenyl)-N,N-dicyclohexylcarbamimidothioic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(=NC3=CC=C(C=C3)Br)S

DOS

IR

Vibrations