Geometry & MOs

Info

ID:	343146
PubChem CID:	127266319
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	324.125612
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	4.11
IP(EA), eV:	-9.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylcarbamoylamino)-N-(dimethylamino-methyl-oxo-lambda6-sulfanylidene)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)NC(=O)NC(C#C)C(C)(C)C

DOS

IR

Vibrations