Geometry & MOs

Info

ID:	46575
PubChem CID:	10525320
Reduced:	N3O5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	405.178752
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	5.04
IP(EA), eV:	-8.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 2-O-methyl (2S,3S,4S)-4-[(E)-1-(4-hydroxyphenyl)prop-1-en-2-yl]-3-(2-methoxy-2-oxoethyl)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)N=CC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations