Geometry & MOs

Info

ID:	179419
PubChem CID:	76481373
Reduced:	SN4O8C33H46 (1)
Stoich.:	AB4C8D33E46 (1)
Weight, g/mol:	406.158745
ΔH_f, kcal/mol:	-325.01
Dipole, Da:	11.09
IP(EA), eV:	-8.16(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-carboxy-4-[[2-(1-hydroxy-2-methylpropan-2-yl)oxy-2-oxoethyl]amino]butanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(CC2=CC=CC=C2)NC(=O)C(CC(C)(C)C(=O)N3CCOC=C3S(=O)O)N)O

DOS

IR

Vibrations