Geometry & MOs

Info

ID:	81113
PubChem CID:	49854365
Reduced:	O2S2N5C18H21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	3.94
IP(EA), eV:	-8.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[[1-(3-methoxyphenyl)cyclopropyl]amino]propanoyl]-2,3-dihydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)NC2=NC3=C(S2)C4=C(CC3)SC(=N4)CC5CC5)C(=O)N

DOS

IR

Vibrations