Geometry & MOs

Info

ID:	319725
PubChem CID:	126657122
Reduced:	N9O22C57H89 (1)
Stoich.:	A9B22C57D89 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-877.07
Dipole, Da:	17.16
IP(EA), eV:	-8.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(4-butoxyanilino)-3-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC2=CC=C(C=C2)OCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(C=CC3=O)O

DOS

IR

Vibrations