Geometry & MOs

Info

ID:	79728
PubChem CID:	49830169
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	410.049191
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	8.76
IP(EA), eV:	-8.48(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O

DOS

IR

Vibrations