Geometry & MOs

Info

ID:	245380
PubChem CID:	99444112
Reduced:	BrN3O4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	435.135173
ΔH_f, kcal/mol:	-135.36
Dipole, Da:	5.61
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)OC)OC)NC(=O)C[C@@H](C2=CC(=CC=C2)Br)NC(=O)N

DOS

IR

Vibrations