Geometry & MOs

Info

ID:	185937
PubChem CID:	77371422
Reduced:	N5O6C15H21 (1)
Stoich.:	A5B6C15D21 (1)
Weight, g/mol:	438.19032
ΔH_f, kcal/mol:	-190.55
Dipole, Da:	4.78
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-benzyl-4-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)C(C1C(C(C(O1)N2C=NC3=C2N=C(N=C3OC)N)O)O)O

DOS

IR

Vibrations