Geometry & MOs

Info

ID:	180119
PubChem CID:	76581440
Reduced:	N4O9C33H54 (1)
Stoich.:	A4B9C33D54 (1)
Weight, g/mol:	485.183186
ΔH_f, kcal/mol:	-458.95
Dipole, Da:	9.81
IP(EA), eV:	-9.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[1-hydroxy-3-[(2-methyl-3-methylsulfonylpropanoyl)amino]-2-oxohexyl]amino]acetyl]amino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC(=O)OC(C1CCCCCCCCCCC(C(=O)N2CC3C(C2C(=O)N1)C3(C)C)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC

DOS

IR

Vibrations