Geometry & MOs

Info

ID:	298981
PubChem CID:	117664993
Reduced:	SO3N5C32H35 (1)
Stoich.:	AB3C5D32E35 (1)
Weight, g/mol:	467.136032
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	6.61
IP(EA), eV:	-9.07(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[(1S,2R)-1-acetamido-2,3-dihydro-1H-inden-2-yl]amino]-5-chloropyrimidin-2-yl]amino]-3-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC2=NC=CC(=N2)C3=CC=C(S3)C(=O)NC(C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O)C

DOS

IR

Vibrations