Geometry & MOs

Info

ID:	310394
PubChem CID:	126579713
Reduced:	S2O9N11C32H45 (1)
Stoich.:	A2B9C11D32E45 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-216.76
Dipole, Da:	23.24
IP(EA), eV:	-7.64(-3.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(2,4-dimethyl-6-propan-2-yloxyphenyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CSSCC(NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCCN=C(N)N)CC(=O)O)CC2=CNC3=CC=CC=C32)C(=O)N

DOS

IR

Vibrations