Geometry & MOs

Info

ID:	62022
PubChem CID:	26717079
Reduced:	BrSN2O3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	4.63
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-1-naphthalen-2-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N(C)C

DOS

IR

Vibrations