Geometry & MOs

Info

ID:	135223
PubChem CID:	51836365
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	7.41
IP(EA), eV:	-8.88(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[formyl-[(5-methylfuran-2-yl)methyl]amino]-2-(2-methylphenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](C(=O)NC2CCCCC2)N(CC3=CC=C(O3)C)C=O

DOS

IR

Vibrations