Geometry & MOs

Info

ID:	123097
PubChem CID:	50832908
Reduced:	SN2O5C27H28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	476.176979
ΔH_f, kcal/mol:	-100.43
Dipole, Da:	7.43
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)CN(C4=CC=CC=C4)C(=O)C5CC5

DOS

IR

Vibrations