Geometry & MOs

Info

ID:	190406
PubChem CID:	77998620
Reduced:	F2N4O4C29H36 (1)
Stoich.:	A2B4C4D29E36 (1)
Weight, g/mol:	402.167889
ΔH_f, kcal/mol:	-243.61
Dipole, Da:	5.28
IP(EA), eV:	-9.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-fluoro-2-(4-methoxyphenyl)-1,4-dihydropyrimidin-6-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(COCC1=C(C=C(C=C1)F)F)C(=O)N2CCCC3(C2)C(CN(C3=O)C)C4=CC=CC=C4)N

DOS

IR

Vibrations