Geometry & MOs

Info

ID:	17265
PubChem CID:	490757
Reduced:	N3O7C31H33 (1)
Stoich.:	A3B7C31D33 (1)
Weight, g/mol:	559.23185
ΔH_f, kcal/mol:	-206.73
Dipole, Da:	5.77
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3S)-3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-4-methoxy-4-oxobutyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCC1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

DOS

IR

Vibrations