Geometry & MOs

Info

ID:	405751
PubChem CID:	135075301
Reduced:	NOH25C29 (1)
Stoich.:	ABC25D29 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	58.53
Dipole, Da:	4.0
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-5-(4-methoxyphenyl)pent-4-enyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@H](N([C@@H]1C2=CC=CC=C2)C(=O)/C=C/C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations