Geometry & MOs

Info

ID:	218351
PubChem CID:	85089214
Reduced:	SN3O6C21H29 (1)
Stoich.:	AB3C6D21E29 (1)
Weight, g/mol:	455.210344
ΔH_f, kcal/mol:	-277.52
Dipole, Da:	5.44
IP(EA), eV:	-9.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(5-methylpyrazolidin-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1C(C(=O)NC1=O)SC2=CC=CC=N2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations