Geometry & MOs

Info

ID:	56846
PubChem CID:	22394362
Reduced:	NOC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	608.147189
ΔH_f, kcal/mol:	-115.81
Dipole, Da:	5.13
IP(EA), eV:	-8.8(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)indol-2-yl]-3-oxo-2-(1-propan-2-ylpiperidin-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C1CCNCC1)NC(=O)O

DOS

IR

Vibrations