Geometry & MOs

Info

ID:	59477
PubChem CID:	24875028
Reduced:	SO3N4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	474.201553
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	5.49
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[(1,2-oxazol-3-ylamino)methyl]triazol-1-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC2=CN=C(S2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4(CCCCC4)C

DOS

IR

Vibrations