Geometry & MOs

Info

ID:	24289
PubChem CID:	609107
Reduced:	N4O4C25H40 (1)
Stoich.:	A4B4C25D40 (1)
Weight, g/mol:	460.304956
ΔH_f, kcal/mol:	-180.21
Dipole, Da:	3.2
IP(EA), eV:	-8.12(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[2-[[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations