Geometry & MOs

Info

ID:

299641

PubChem CID:

117688248

Reduced:

FO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

555.265711

ΔHf, kcal/mol:

-174.56

Dipole, Da:

7.64

IP(EA), eV:

 -9.29(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CCC1NC(=O)[C@H](C)O)NC(=O)C2=C(NC3=C2N=CN=C3C4=C(C=CC(=C4F)C)OCC5CC5)C

DOS

IR

Vibrations