Geometry & MOs

Info

ID:	30195
PubChem CID:	840575
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	24.67
Dipole, Da:	9.99
IP(EA), eV:	-8.91(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NN=CC1=CC=C(S1)[N+](=O)[O-])NC2=CC=C(C=C2)C

DOS

IR

Vibrations