Geometry & MOs

Info

ID:	414819
PubChem CID:	135087782
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-87.68
Dipole, Da:	10.39
IP(EA), eV:	-9.04(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-4-cyclopropyl-N-[2-[ethyl(methyl)amino]ethyl]-3-(4-methoxyphenyl)-N-methyl-5-oxomorpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)C

DOS

IR

Vibrations