Geometry & MOs

Info

ID:	443181
PubChem CID:	135258003
Reduced:	FN4O6C27H31 (1)
Stoich.:	AB4C6D27E31 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-217.95
Dipole, Da:	2.12
IP(EA), eV:	-8.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-(3-formylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](C(=O)NCC2=C(C=C(C=C2)C)F)NC(=O)[C@H]([C@@H](C)O)NC(=O)C3=NOC(=C3)C

DOS

IR

Vibrations