Geometry & MOs

Info

ID:	350350
PubChem CID:	127277428
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	366.263091
ΔH_f, kcal/mol:	-83.75
Dipole, Da:	2.38
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-morpholin-4-ylethyl)-4-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)NC3=NC4=C(S3)COCC4

DOS

IR

Vibrations