Geometry & MOs

Info

ID:	24667
PubChem CID:	612103
Reduced:	N3O4C27H37 (1)
Stoich.:	A3B4C27D37 (1)
Weight, g/mol:	467.278407
ΔH_f, kcal/mol:	-163.18
Dipole, Da:	1.97
IP(EA), eV:	-9.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-methyl-2-[[3-methyl-2-(naphthalen-2-ylmethylideneamino)butanoyl]amino]pentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)OCC)NC(=O)C(C(C)C)N=CC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations