Geometry & MOs

Info

ID:	168456
PubChem CID:	74969750
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	622.219631
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	11.1
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[6-[[[3-[(4-tert-butylphenyl)methoxy]thiophene-2-carbonyl]amino]methyl]-3,4,5-trihydroxyoxan-2-yl]acetyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CNC4=CC=CC=C43)N)C(=O)NCC(=O)O

DOS

IR

Vibrations