Geometry & MOs

Info

ID:	144293
PubChem CID:	53346018
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	597.213379
ΔH_f, kcal/mol:	33.87
Dipole, Da:	2.09
IP(EA), eV:	-8.94(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C=CCNC(=O)N1CCN(CC1)[C@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N

DOS

IR

Vibrations