Geometry & MOs

Info

ID:	299059
PubChem CID:	117670399
Reduced:	SH16C17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	544.204588
ΔH_f, kcal/mol:	61.64
Dipole, Da:	1.0
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[(1R,2R)-1-[(2-hydroxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(S2)[C@H]3CC=CC=C3

DOS

IR

Vibrations