Geometry & MOs

Info

ID:	44704
PubChem CID:	10505456
Reduced:	ClOS2N4C25H25 (1)
Stoich.:	ABC2D4E25F25 (1)
Weight, g/mol:	497.187461
ΔH_f, kcal/mol:	42.33
Dipole, Da:	4.58
IP(EA), eV:	-8.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-2,2-difluoro-N-methyl-3-oxo-5-phenylpentanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5=CC=CC=C5Cl

DOS

IR

Vibrations