Geometry & MOs

Info

ID:	175576
PubChem CID:	75924415
Reduced:	SO2N5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	20.9
Dipole, Da:	7.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753078
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CCC(=O)NC3=CC4=C(C=C3)N(C=C4)CC[NH+](C)C)C

DOS

IR

Vibrations