Geometry & MOs

Info

ID:	299664
PubChem CID:	117688359
Reduced:	NOF2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	555.265711
ΔH_f, kcal/mol:	-146.64
Dipole, Da:	3.73
IP(EA), eV:	-9.87(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-(difluoromethyl)phenyl]-N-[(1R,2R,4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-2-methylcyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C=C(F)F)[C@@H]1CC(=O)NC1

DOS

IR

Vibrations