Geometry & MOs

Info

ID:	196956
PubChem CID:	78900217
Reduced:	SN2O2C18H26 (1)
Stoich.:	AB2C2D18E26 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-95.34
Dipole, Da:	4.94
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=O)NC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations