Geometry & MOs

Info

ID:	329279
PubChem CID:	126733883
Reduced:	BrFSN2O5C18H24 (1)
Stoich.:	ABCD2E5F18G24 (1)
Weight, g/mol:	432.152158
ΔH_f, kcal/mol:	-242.62
Dipole, Da:	3.08
IP(EA), eV:	-10.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R,5S)-6-amino-5-cyano-2-(difluoromethyl)-5-methyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCC(CO)(C#N)S(=O)(=O)C)C1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations