Geometry & MOs

Info

ID:	56049
PubChem CID:	17403999
Reduced:	O2S2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	2.33
IP(EA), eV:	-9.09(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC(=O)CN2C=NC3=C(C2=O)SC=C3

DOS

IR

Vibrations