Geometry & MOs

Info

ID:	319647
PubChem CID:	126656915
Reduced:	NSO2C22H37 (1)
Stoich.:	ABC2D22E37 (1)
Weight, g/mol:	342.263091
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	2.96
IP(EA), eV:	-8.56(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(carbamoylamino)-6,6-dimethyl-5-oxooctan-4-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CC(CC(C)OC(=O)C(C)(C)C)CSC(C1=CC=CC=C1)NC(C)(C)C

DOS

IR

Vibrations