Geometry & MOs

Info

ID:	36406
PubChem CID:	8005855
Reduced:	N2O3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	2.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755270
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2[C@H]3CC[C@H](C3)[C@H]2C(=O)[O-]

DOS

IR

Vibrations