Geometry & MOs

Info

ID:	139029
PubChem CID:	52462118
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	3.77
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)[C@@H](C(C)C)NC(=O)N

DOS

IR

Vibrations