Geometry & MOs

Info

ID:	141815
PubChem CID:	52932375
Reduced:	SN2O6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	542.170037
ΔH_f, kcal/mol:	-200.03
Dipole, Da:	12.91
IP(EA), eV:	-9.14(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(C=CC2=C1OC(=O)C(=C2)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)NC)C)OC

DOS

IR

Vibrations