Geometry & MOs

Info

ID:	1236
PubChem CID:	4027
Reduced:	N3O6C19H31 (1)
Stoich.:	A3B6C19D31 (1)
Weight, g/mol:	397.221286
ΔH_f, kcal/mol:	-254.3
Dipole, Da:	4.73
IP(EA), eV:	-9.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-methyl-2-[[3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C1C(O1)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)OC

DOS

IR

Vibrations