Geometry & MOs

Info

ID:	147846
PubChem CID:	53787504
Reduced:	N5O7C22H27 (1)
Stoich.:	A5B7C22D27 (1)
Weight, g/mol:	473.191048
ΔH_f, kcal/mol:	-246.76
Dipole, Da:	4.99
IP(EA), eV:	-9.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[(4-butyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-oxoazetidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](NC3=O)C(=O)OC

DOS

IR

Vibrations