Geometry & MOs

Info

ID:	82431
PubChem CID:	49856023
Reduced:	NO3C19H31 (2)
Stoich.:	AB3C19D31 (2)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-337.11
Dipole, Da:	3.69
IP(EA), eV:	-9.49(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]sulfonyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide

Drug info:

PubChemData

Smile

C1COCCOCCN(CCOCCOCCN1C(=O)CCC23CC4CC(C2)CC(C4)C3)C(=O)CCC56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations