Geometry & MOs

Info

ID:	196850
PubChem CID:	78885809
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	43.96
Dipole, Da:	3.12
IP(EA), eV:	-8.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-methylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC=CC=C1NCC2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations