Geometry & MOs

Info

ID:	338317
PubChem CID:	127259009
Reduced:	N5O7C26H33 (1)
Stoich.:	A5B7C26D33 (1)
Weight, g/mol:	358.05282
ΔH_f, kcal/mol:	-297.91
Dipole, Da:	2.82
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-[(4-bromophenyl)methyl]-5-(hydroxyamino)-2-methyl-5-oxopentan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)N([C@@H](C)C(=O)N)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C

DOS

IR

Vibrations