Geometry & MOs

Info

ID:	195109
PubChem CID:	78635760
Reduced:	N2S2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-51.46
Dipole, Da:	4.97
IP(EA), eV:	-8.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)C4SCCS4

DOS

IR

Vibrations