Geometry & MOs

Info

ID:	336083
PubChem CID:	127255090
Reduced:	SO3N6C15H22 (1)
Stoich.:	AB3C6D15E22 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	5.95
IP(EA), eV:	-9.63(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrol-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NC(=C(S1)C(C)C)C(=O)OC)N2C=NN=N2

DOS

IR

Vibrations