Geometry & MOs

Info

ID:	13838
PubChem CID:	399317
Reduced:	ClSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	362.085577
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	1.88
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-[(4-chlorophenyl)carbamoyloxy]benzenecarboximidothioic acid

Drug info:

PubChemData

Smile

CCCCN=C(C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)Cl)S

DOS

IR

Vibrations