Geometry & MOs

Info

ID:	193127
PubChem CID:	78348115
Reduced:	O4N5H11C13 (1)
Stoich.:	A4B5C11D13 (1)
Weight, g/mol:	430.138737
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	2.0
IP(EA), eV:	-9.3(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-(5-methylpyrazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C=C1C(=O)N=C(N=N1)NN=CC2=CC=C(C=C2)OCC(=O)O

DOS

IR

Vibrations