Geometry & MOs

Info

ID:	350004
PubChem CID:	127276877
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	1.63
IP(EA), eV:	-8.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)CSCC(=O)N2CCOCC2

DOS

IR

Vibrations