Geometry & MOs

Info

ID:	442048
PubChem CID:	135248476
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	594.117368
ΔH_f, kcal/mol:	-162.91
Dipole, Da:	4.31
IP(EA), eV:	-9.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-[(2R)-2,3-dihydroxypropoxy]pyrimidin-5-yl]-3-[(3R)-dithiolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(C)N(CC=O)CC(=O)N)N1CC(=O)NC(=O)C1

DOS

IR

Vibrations