Geometry & MOs

Info

ID:	125915
PubChem CID:	50943961
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	537.068272
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	7.05
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7S)-4-chloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCN(CCCO)C(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)CC(=O)O)N=C(C1)N

DOS

IR

Vibrations