Geometry & MOs

Info

ID:	185552
PubChem CID:	77313453
Reduced:	O4N5C25H39 (1)
Stoich.:	A4B5C25D39 (1)
Weight, g/mol:	491.263151
ΔH_f, kcal/mol:	-135.65
Dipole, Da:	3.89
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[[2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C(CC(=O)O)C(=O)C2(CCCCN2)CCOC3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations