Geometry & MOs

Info

ID:	404853
PubChem CID:	135071517
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	473.09904
ΔH_f, kcal/mol:	-123.41
Dipole, Da:	5.75
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-N-[(4-methoxyphenyl)methyl]-2,2-diphenyl-N-prop-2-ynylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)N(OC(=O)OC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations