Geometry & MOs

Info

ID:	59381
PubChem CID:	24846599
Reduced:	S2N11O11H35C37 (1)
Stoich.:	A2B11C11D35E37 (1)
Weight, g/mol:	317.257946
ΔH_f, kcal/mol:	-266.71
Dipole, Da:	3.39
IP(EA), eV:	-9.44(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N-dicyclohexyl-6-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine

Drug info:

Smile

CC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC=C(C=C2)C3=NC=C(C(=O)N3)C(=O)N[C@H](C4=CC=CC=C4)C(=O)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6)CSC7=NN=NN7CC(=O)O)C(=O)O)O

DOS

IR

Vibrations