Geometry & MOs

Info

ID:	140286
PubChem CID:	52676087
Reduced:	O3N5C17H30 (1)
Stoich.:	A3B5C17D30 (1)
Weight, g/mol:	351.22704
ΔH_f, kcal/mol:	-103.0
Dipole, Da:	14.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782703
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)NC(=O)CN2CCC[C@@H](C2)[NH+]3CCCC3)C

DOS

IR

Vibrations