Geometry & MOs

Info

ID:	309333
PubChem CID:	126545266
Reduced:	N2O5C38H44 (1)
Stoich.:	A2B5C38D44 (1)
Weight, g/mol:	352.148616
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	7.31
IP(EA), eV:	-8.34(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7aR)-7a-[(2S)-1-(2,5-difluoro-4-methoxyphenyl)propan-2-yl]-6-ethyl-6,7-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC)[C@H](N(CC2)C)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)CO)CO)O

DOS

IR

Vibrations