Geometry & MOs

Info

ID:	80531
PubChem CID:	49834974
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-117.21
Dipole, Da:	7.86
IP(EA), eV:	-9.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,7-dimethylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1CN(C1)C(=O)[C@@H]2C[C@@H](C[C@H]2C(=O)NC3(CC3)C#N)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations