Geometry & MOs

Info

ID:	59511
PubChem CID:	24875216
Reduced:	N2O3C14H24 (1)
Stoich.:	A2B3C14D24 (1)
Weight, g/mol:	522.226705
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	4.21
IP(EA), eV:	-9.63(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(1H-benzimidazol-2-ylamino)methyl]-4-(furan-2-yl)phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)OC(C)(C)C)C(=N)OC)C

DOS

IR

Vibrations