Geometry & MOs

Info

ID:	443488
PubChem CID:	135259177
Reduced:	O4N5C28H41 (1)
Stoich.:	A4B5C28D41 (1)
Weight, g/mol:	496.377727
ΔH_f, kcal/mol:	-150.2
Dipole, Da:	5.42
IP(EA), eV:	-8.47(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-(1-butan-2-ylcyclohexyl)-5-[[6-ethyl-5-(2-methylbutyl)pyrimidin-4-yl]amino]-2,3-dimethyl-6-oxohepta-2,4-dienamide

Drug info:

PubChemData

Smile

CCC(CC1CC(CCN1C)CN2C=C(C=N2)/C=C/C(=O)O)C3=CC(=C(C=C3)NC(=O)OC(C)(C)C)N

DOS

IR

Vibrations