Geometry & MOs

Info

ID:	141413
PubChem CID:	52874759
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	7.21
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-N-ethyl-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=C(SC=C2)NC(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations