Geometry & MOs

Info

ID:	437516
PubChem CID:	135226502
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	602.131459
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	2.92
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[[3-[5-[amino(hydroxy)methyl]-2-chlorophenyl]-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylthieno[3,2-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC(C)CN)C(=O)OC

DOS

IR

Vibrations