Geometry & MOs

Info

ID:	69087
PubChem CID:	46518186
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	10.08
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(methylcarbamoylamino)phenyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations