Geometry & MOs

Info

ID:	65664
PubChem CID:	46386728
Reduced:	ClO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	4.58
IP(EA), eV:	-8.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-phenyl-3-[(2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NC2=C(NC3=CC=CC=C32)C4=CN=CC=C4

DOS

IR

Vibrations